Magnetic Materials
Magnetic materials are essential to information storage and energy transformation (e.g., in electric motors and wind turbines). We are currently using first principles computations to study permanent magnets as well as magnetic skyrmions in metallic thin films.
Quantum defects
Quantum information science will potentially disrupt the way we compute, sense and communicate. Point defects in semiconductors, also called color centers, are essential components for quantum communication for instance. Our group uses first principles computations to understand and discover new color centers for quantum applications.
The Materials Project
The Materials Project provides one of the largest publicly available data set of computed materials properties. We have been part of the Materials Project team since it’s foundation in 2011.
Photovoltaic and Infra-red Materials
Semiconducting materials absorbing light to transform it in an electric voltage are the necessary components for photovoltaic devices. We use first principles computational screening to accelerate the discovery of new semiconductors that could lead to highly efficient photovoltaic devices. In parallel, we use similar techniques to design materials that will be used in infra-red detectors.
Materials for Electrochemical Hydrogen Production
Hydrogen production from the splitting of water in hydrogen and oxygen under electrolysis offers a sustainable way to store energy. We work on the understanding of the catalysts promoting these reactions with the goal of designing cheaper and more efficient catalysts.